Počet záznamů: 1

A Numerical Test of a High-Penetrability Approximation for the One-Dimensional Penetrable-Square-Well Model

  1. 1.
    0355069 - UCHP-M 2012 RIV US eng J - Článek v odborném periodiku
    Fantoni, R. - Giacometti, A. - Malijevský, Alexandr - Santos, A.
    A Numerical Test of a High-Penetrability Approximation for the One-Dimensional Penetrable-Square-Well Model.
    Journal of Chemical Physics. Roč. 133, č. 2 (2010), 024101-14 ISSN 0021-9606
    Grant CEP: GA AV ČR IAA400720710
    Grant ostatní: MIUR(IT) PRIN-COFIN 2007B57EAB; MEC(ES) FIS2007-60977
    Výzkumný záměr: CEZ:AV0Z40720504
    Klíčová slova: phase-transition * systems * simulation
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.920, rok: 2010

    The one-dimensional penetrable-square-well fluid is studied using both analytical tools and specialized Monte Carlo simulations. The model consists of a penetrable core characterized by a finite repulsive energy combined with a short-range attractive well. This is a many-body one-dimensional problem, lacking an exact analytical solution, for which the usual van Hove theorem on the absence of phase transition does not apply. We determine a high-penetrability approximation complementing a similar low-penetrability approximation presented in previous work. This is shown to be equivalent to the usual Debye–Hückel theory for simple charged fluids for which the virial and energy routes are identical. The internal thermodynamic consistency with the compressibility route and the validity of the approximation in describing the radial distribution function is assessed by a comparison against numerical simulations.
    Trvalý link: http://hdl.handle.net/11104/0193918